Molecule

ID:28814

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀N₂O
Molecular Mass
278.4329
Exact Mass
278.23581359
Charge
0
InChI
InChI=1S/C17H30N2O/c1-5-16(14-18-11-12-19(6-2)7-3)20-17-10-8-9-15(4)13-17/h8-10,13,16,18H,5-7,11-12,14H2,1-4H3
InChIKey
XIBFYOXAKSLRIL-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)C)CNCCN(CC)CC
Isomeric Smiles
c1(OC(CNCCN(CC)CC)CC)cc(ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.096738756
LogD (pH = 7.4)
1.465128
Log P
3.6359503
Molar Refractivity
86.7459
Polarizability
34.282223
Polar Surface Area
24.5
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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